Paliperidone palmitateProduct ingredient for Paliperidone

Name
Paliperidone palmitate
Drug Entry
Paliperidone

Paliperidone is the primary active metabolite of risperidone. The mechanism of action is unknown but it is likely to act via a similar pathway to risperidone. It has been proposed that the drug's therapeutic activity in schizophrenia is mediated through a combination of central dopamine Type 2 (D2) and serotonin Type 2 (5HT2A) receptor antagonism. Paliperidone is also active as an antagonist at alpha 1 and alpha 2 adrenergic receptors and H1 histaminergic receptors, which may explain some of the other effects of the drug. Paliperidone was approved by the FDA for treatment of schizophrenia on December 20, 2006. It is available as an extended-release tablet, a once-monthly intramuscular injection, an every-three-month intramuscular injection, and a twice-yearly gluteal injection.3,5,4,6

Accession Number
DBSALT001464
Structure
Synonyms
Not Available
UNII
R8P8USM8FR
CAS Number
199739-10-1
Weight
Average: 664.907
Monoisotopic: 664.436384494
Chemical Formula
C39H57FN4O4
InChI Key
VOMKSBFLAZZBOW-UHFFFAOYSA-N
InChI
InChI=1S/C39H57FN4O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-36(45)47-34-17-16-24-44-38(34)41-29(2)32(39(44)46)23-27-43-25-21-30(22-26-43)37-33-20-19-31(40)28-35(33)48-42-37/h19-20,28,30,34H,3-18,21-27H2,1-2H3
IUPAC Name
3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-4-oxo-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-9-yl hexadecanoate
SMILES
CCCCCCCCCCCCCCCC(=O)OC1CCCN2C(=O)C(CCN3CCC(CC3)C3=NOC4=CC(F)=CC=C34)=C(C)N=C12
Human Metabolome Database
HMDB0256085
ChemSpider
8028457
ChEBI
83808
ChEMBL
CHEMBL2107360
Wikipedia
Paliperidone
Predicted Properties
PropertyValueSource
Water Solubility0.00704 mg/mLALOGPS
logP8.12ALOGPS
logP8.68Chemaxon
logS-5ALOGPS
pKa (Strongest Basic)8.76Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area88.24 Å2Chemaxon
Rotatable Bond Count20Chemaxon
Refractivity189.63 m3·mol-1Chemaxon
Polarizability80.13 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon